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Ethane, methoxy-

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-51.73 ± 0.16kcal/molCmPilcher, Pell, et al., 1964ALS
Quantity Value Units Method Reference Comment
Deltacgas-503.68 ± 0.15kcal/molCmPilcher, Pell, et al., 1964Corresponding «DELTA»fgas = -51.73 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
12.23100.Chao J., 1986p=1 bar.; GT
15.16150.
17.67200.
21.10273.15
22.30 ± 0.026298.15
22.39300.
27.218400.
31.707500.
35.626600.
39.015700.
41.955800.
44.515900.
46.7451000.
48.6881100.
50.3751200.
51.8451300.
53.1241400.
54.2401500.

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil283.2KN/AWeast and Grasselli, 1989BS
Tboil312.10KN/ALecat, 1947Uncertainty assigned by TRC = 0.4 K; TRC
Tboil279.75KN/AIpatieff and Burwell, 1941Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Tc438.03KN/AZawisza and Glowka, 1970Uncertainty assigned by TRC = 1. K; TRC
Tc437.8KN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.3 K; by disappearance of meniscus; TRC
Tc437.9KN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.3 K; by appearance of turbidity; TRC
Tc441.6KN/ANadezhdin, 1887Uncertainty assigned by TRC = 4. K; TRC
Tc440.9KN/APawlewski, 1882Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Pc43.04atmN/AZawisza and Glowka, 1970Uncertainty assigned by TRC = 0.5000 atm; TRC
Pc43.42atmN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.4000 atm; vapor pressure at Tc; TRC
Pc46.27atmN/ANadezhdin, 1887Uncertainty assigned by TRC = 3.0000 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.222l/molN/AZawisza and Glowka, 1970Uncertainty assigned by TRC = 0.003 l/mol; TRC
Quantity Value Units Method Reference Comment
rhoc4.529mol/lN/ABerthoud and Brum, 1924Uncertainty assigned by TRC = 0.03 mol/l; TRC
rhoc5.109mol/lN/ANadezhdin, 1887Uncertainty assigned by TRC = 0.33 mol/l; TRC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.19296.AStephenson and Malanowski, 1987Based on data from 281. - 433. K.; AC
8.84231.AStephenson and Malanowski, 1987Based on data from 216. - 299. K.; AC
8.87296.AStephenson and Malanowski, 1987Based on data from 281. - 438. K.; AC
6.29265.N/AStull, 1947Based on data from 182. - 280. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
182. - 280.74.02731952.618-44.189Stull, 1947Coefficents calculated by NIST from author's data.
280.7 - 433.3.44928600.134-108.534Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Henry's Law data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.90 EN/AValue obtained by missing citation using the group contribution method.

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C3H8O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.72 ± 0.07eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)193.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity186.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.72 ± 0.07EIBowen and Maccoll, 1984LBLHLM
9.86PEKimura, Katsumata, et al., 1981LLK
9.72EIHolmes, Fingas, et al., 1981LLK
9.5PEAue and Bowers, 1979LLK
9.6 ± 0.1EIIvko, 1970RDSH
9.72PEHoppilliard and Solgadi, 1980Vertical value; LLK
9.81PEAue and Bowers, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH3+15.02?EIHaney and Franklin, 1969RDSH
CH3O+<=11.7C2H5EILossing, 1977LLK
CH3O+12.9 ± 0.1C2H5EIIvko, 1970RDSH
CH3O+12.50C2H5EIHaney and Franklin, 1969RDSH
C2H5O+10.47 ± 0.08CH3EIBowen and Maccoll, 1984LBLHLM
C2H5O+10.47CH3EILossing, 1977LLK
C2H5O+10.9 ± 0.1CH3EIIvko, 1970RDSH
C2H5O+11.30CH3EIHaney and Franklin, 1969RDSH
C2H5O+10.96CH3EIHarrison, Ivko, et al., 1966RDSH
C3H7O+10.32 ± 0.08HEIBowen and Maccoll, 1984LBLHLM
C3H7O+10.32HEILossing, 1977LLK
C3H7O+10.3 ± 0.1HEIIvko, 1970RDSH
C3H7O+10.3HEIHarrison, Ivko, et al., 1966RDSH

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 150

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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101421.Zenkevich, Eliseenkov, et al., 201125. m/0.20 mm/0.25 «mu»m, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 220. C
CapillaryOV-101421.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone419.Zenkevich, 1995Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Pilcher, Pell, et al., 1964
Pilcher, G.; Pell, A.S.; Coleman, D.J., Measurements of heats of combustion by flame calorimetry. Part 2-Dimethyl ether, methyl ethyl ether, methyl n-propyl ether, methyl isopropyl ether, Trans. Faraday Soc., 1964, 60, 499-505. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Lecat, 1947
Lecat, M., Orthobaric Azeotropes of Sulfides, Bull. Cl. Sci., Acad. R. Belg., 1947, 33, 160-82. [all data]

Ipatieff and Burwell, 1941
Ipatieff, V.N.; Burwell, R.L., The Catalytic Preparationand Interconversion of Simple and Mixed Ethers, J. Am. Chem. Soc., 1941, 63, 969. [all data]

Zawisza and Glowka, 1970
Zawisza, A.C.; Glowka, S., Liquid-vapour equilibria and thermodynamic functions of methyl ethyl ether - sulphur dioxide system up to 300c and 77.81 atmospheres, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1970, 18, 555-60. [all data]

Berthoud and Brum, 1924
Berthoud, A.; Brum, R., Physical Properties of Some Organic Compounds., J. Chim. Phys. Phys.-Chim. Biol., 1924, 21, 143-60. [all data]

Nadezhdin, 1887
Nadezhdin, A., Rep. Phys., 1887, 23, 708. [all data]

Pawlewski, 1882
Pawlewski, B., The critical temperatures of ester compounds, Ber. Dtsch. Chem. Ges., 1882, 15, 2460-4. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Bowen and Maccoll, 1984
Bowen, R.D.; Maccoll, A., Low energy, low temperature mass spectra, Org. Mass Spectrom., 1984, 19, 379. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Ivko, 1970
Ivko, A.A., Use of mass spectroscopy and isotope labelling for determining the structure of ions and molecules, Org. Katal., 1970, 20. [all data]

Hoppilliard and Solgadi, 1980
Hoppilliard, Y.; Solgadi, D., Conformational analysis of 2-haloethanols and 2-methoxyethylhalides in a photoelectron spectrometer, Tetrahedron, 1980, 36, 377. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Excess energies in mass spectra of some oxygen-containing organic compounds, J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [all data]

Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [CnH2n+1]+ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]

Harrison, Ivko, et al., 1966
Harrison, A.G.; Ivko, A.; Van Raalte, D., Energetics of formation of some oxygenated ions and the proton affinities of carbonyl compounds, Can. J. Chem., 1966, 44, 1625. [all data]

Zenkevich, Eliseenkov, et al., 2011
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N.; Ukolov, A.I., Identification of the products of nonregioselective organic reactions by chromatography - mass spectrometry: chloro derivatives of dialkyl ethers, Rus. J. Anal. Chem., 2011, 66, 14, 1445-1454, https://doi.org/10.1134/S1061934811140218 . [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Zenkevich, 1995
Zenkevich, I.G., Calculation of Gas-Chromatographic Retention Indices from Physico-Chemical Constants of Organic Compounds, Z. Anal. Chem., 1995, 50, 10, 1048-1056. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References